SCHEMBL5583701

SCHEMBL5583701

COc1ccnc(C(=O)NC2CCCC2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
CFTR P13569 1/20 0.47
HPGD P15428 4/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 3/20 0.46
AURKA O14965 1/20 0.45
LCK P06239 1/20 0.45
MET P08581 1/20 0.45
KDR P35968 1/20 0.45
TEK Q02763 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5583860 0.99 ALDH1A1 (0.52) ALDH1A1RAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL15480783 0.99 ALDH1A1 (0.52) ALDH1A1RAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL5583725 0.99 ALDH1A1 (0.52) ALDH1A1RAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL5583707 0.99 ALDH1A1 (0.52) ALDH1A1RAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL5583720 0.99 ALDH1A1 (0.52) ALDH1A1RAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL5583854 0.97 TAS1R3 (0.48) ALDH1A1RAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL5583588 0.94 TAS1R3 (0.53) ALDH1A1RAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL5583651 0.90 TAS1R3 (0.62) RAB9ATAS1R3TAS1R1TAS1R2GAA
SCHEMBL5583757 0.90 TAS1R3 (0.49) ALDH1A1TAS1R3TAS1R1TAS1R2CFTR
SCHEMBL5583816 0.85 HCRTR1 (0.45) TAS1R3TAS1R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed